>compound Baicalin_Baicalin
#instrument UPLC Q-Tof Premier, Waters
>formula C21H18O11
#smiles OC(=O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc(c2)c(O)c(O)c(C(=O)3)c(OC(c(c4)cccc4)=C3)2
#RECORD LC-ESI-QTOF_train_data/PR100237.txt;LC-ESI-QTOF_train_data/PR100652.txt
>charge 1
>ionization [M+H]+
>parentmass 447.09271

>collision 5-60
123.0098 586.3
271.0619 5245.0
447.0927 537.2

>collision 5-60
113.0248 328.4
175.0247 145.5
269.046 2647.0
445.0771 342.4

